Youyong Li

Assessing the Performance of the MM/PBSA and MM/GBSA Methods. 1. The Accuracy of Binding Free Energy Calculations Based on Molecular Dynamics Simulations

Tingjun Hou, Junmei Wang, Youyong Li et al. · Journal of Chemical Information and Modeling · 2010 · 2.6K citations

Comprehensive evaluation of ten docking programs on a diverse set of protein–ligand complexes: the prediction accuracy of sampling power and scoring power

Zhe Wang, Huiyong Sun, Xiaojun Yao et al. · Physical Chemistry Chemical Physics · 2016 · 929 citations

Polyamide nanofiltration membrane with highly uniform sub-nanometre pores for sub-1 Å precision separation

Yuanzhe Liang, Cheng Liu, Kueir‐Rarn Lee et al. · Nature Communications · 2020 · 806 citations · Full text

Assessing the performance of the molecular mechanics/Poisson Boltzmann surface area and molecular mechanics/generalized Born surface area methods. II. The accuracy of ranking poses generated from docking

Tingjun Hou, Junmei Wang, Youyong Li et al. · Journal of Computational Chemistry · 2010 · 735 citations

Assessing the performance of MM/PBSA and MM/GBSA methods. 4. Accuracies of MM/PBSA and MM/GBSA methodologies evaluated by various simulation protocols using PDBbind data set

Huiyong Sun, Youyong Li, Sheng Tian et al. · Physical Chemistry Chemical Physics · 2014 · 706 citations